IFLAB-ZINC04139278 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 1.1510 2.9640 -0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 1.5480 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2380 1.1500 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7110 -0.1530 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -1.0780 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -0.7020 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 0.6050 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 0.9690 -2.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 1.9560 -3.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 0.1260 -3.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 0.3140 -4.7000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2520 1.1620 -5.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 0.7040 -4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -0.9540 -5.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2710 -1.7190 -5.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -1.5760 -5.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 -2.8490 -5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -3.1140 -5.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -2.0390 -5.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -0.7260 -6.1580 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.5900 -7.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 0.5040 -9.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 0.0610 -9.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -1.2490 -8.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -1.2760 -7.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 3.5360 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 2.9880 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 3.4650 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 1.8570 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -0.4430 1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -2.0880 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.4240 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -0.6350 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 1.5460 -3.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 1.0110 -5.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -0.1270 -3.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -3.5670 -4.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -4.0460 -5.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 -1.9630 -6.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 0.8820 -7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 1.2940 -7.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.4950 -9.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -0.1700 -9.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -1.5320 -8.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -1.9610 -9.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -0.6130 -6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -2.2950 -6.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -0.7770 -7.0590 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.4160 -7.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END